1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine

C13H19FN4O — CID 116514289

IUPAC1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
SMILESCOc1cc(F)ccc1N/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H19FN4O/c1-19-12-8-9(14)6-7-11(12)17-13(18-15)16-10-4-2-3-5-10/h6-8,10H,2-5,15H2,1H3,(H2,16,17,18)
InChIKeyQOPHOYWREFEAEC-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.01
Rot. Bonds3

About 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine

1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine (PubChem CID 116514289) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
PubChem CID116514289
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
SMILESCOc1cc(F)ccc1N/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H19FN4O/c1-19-12-8-9(14)6-7-11(12)17-13(18-15)16-10-4-2-3-5-10/h6-8,10H,2-5,15H2,1H3,(H2,16,17,18)
InChIKeyQOPHOYWREFEAEC-UHFFFAOYSA-N
XLogP2.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
1-amino-3-(2-bromo-4-fluorophenyl)-2-cyclohexylguanidine
CID 116512701
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-2-cyclohexyl-3-(2,5-difluoro-4-methylphenyl)guanidine
CID 103587960
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
1-amino-3-(4-bromo-5-fluoro-2-methylphenyl)-2-cyclopentylguanidine
CID 116516504
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine (CID 116514289) is 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine is COc1cc(F)ccc1N/C(=N/C1CCCC1)NN.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine?
The InChIKey is QOPHOYWREFEAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-19-12-8-9(14)6-7-11(12)17-13(18-15)16-10-4-2-3-5-10/h6-8,10H,2-5,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine?
1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine has a molecular weight of 266.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine is sourced from PubChem (CID 116514289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).